Glycoside
...
GD027162

Name:
None

Formula:
C64H117O36N5

Smiles:
NCCCCC(C(=O)NCCCCCCOC1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)N(CC(=O)NCCCCCCOC1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CC(=O)NCCCCCCOC1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
NCCCCC(C(=O)NCCCCCCO)N(CC(=O)NCCCCCCO)CC(=O)NCCCCCCO

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 6
HBD: 26 FractionCSP3: 0.95
AlogP: -12.26 Num_rotatable_bonds: 46
MolWt: 1532.64 Num_heavy_atoms: 105
TPSA: 652.15 NumAromaticRings: 0

Unique Aglycone
AD17876
Formula: C28H57O6N5

Smiles:
NCCCCC(C(=O)NCCCCCCO)N(CC(=O)NCCCCCCO)CC(=O)NCCCCCCO
HBA: 11 RingCount: 0
HBD: 8 FractionCSP3: 0.89
AlogP: 0.79 Num_rotatable_bonds: 28
MolWt: 559.79 Num_heavy_atoms: 39
TPSA: 177.25 NumAromaticRings: 0

Sugarmoiety
SD00224

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O